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651780-60-8 | Benzamide, N-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzisoxazol-6-yl)-
CAS No: 651780-60-8 Catalog No: AG00H7AB MDL No:
Product Description
Catalog Number:
AG00H7AB
Chemical Name:
Benzamide, N-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzisoxazol-6-yl)-
CAS Number:
651780-60-8
Molecular Formula:
C19H18N2O2
Molecular Weight:
306.3584
IUPAC Name:
N-cyclopropyl-4-methyl-3-(3-methyl-1,2-benzoxazol-6-yl)benzamide
InChI:
InChI=1S/C19H18N2O2/c1-11-3-4-14(19(22)20-15-6-7-15)9-17(11)13-5-8-16-12(2)21-23-18(16)10-13/h3-5,8-10,15H,6-7H2,1-2H3,(H,20,22)
InChI Key:
WSIBXVRGVIDHRP-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)c1ccc2c(c1)onc2C)C)NC1CC1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.365g/mol
Monoisotopic Mass:
306.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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